CID 137698588

Ethyl 2-cyclopropanecarbonyl-4-cyclopropyl-4-oxobutanoate

Structural Information

Molecular Formula
C13H18O4
SMILES
CCOC(=O)C(CC(=O)C1CC1)C(=O)C2CC2
InChI
InChI=1S/C13H18O4/c1-2-17-13(16)10(12(15)9-5-6-9)7-11(14)8-3-4-8/h8-10H,2-7H2,1H3
InChIKey
GAPWDXROWIXFRP-UHFFFAOYSA-N
Compound name
ethyl 2-(cyclopropanecarbonyl)-4-cyclopropyl-4-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.12051 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.12779 159.5
[M+Na]+ 261.10973 164.8
[M-H]- 237.11323 166.1
[M+NH4]+ 256.15433 165.8
[M+K]+ 277.08367 163.0
[M+H-H2O]+ 221.11777 153.5
[M+HCOO]- 283.11871 176.7
[M+CH3COO]- 297.13436 203.8
[M+Na-2H]- 259.09518 158.1
[M]+ 238.11996 165.4
[M]- 238.12106 165.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.